| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:52 UTC |
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| Update Date | 2025-03-21 18:29:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076225 |
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| Frequency | 38.7 |
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| Structure | |
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| Chemical Formula | C26H29N3O7 |
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| Molecular Mass | 495.2006 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(Cc2[nH]c(C(=O)O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | KJQPMGATUSZFEB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundpyrrolinepyrrole-2-carboxylic acid or derivativespyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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